Information card for entry 7130559

Structure parameters

• Formula: C48 H34 O2
• Calculated formula: C48 H34 O2
• SMILES: O1c2c(c3c(OCc4c(/C(=C(\c5ccccc5)c5c(C1)cccc5)c1ccccc1)cccc4)ccc1c3cccc1)c1c(cc2)cccc1
• Title of publication: Chiral cyclic architectonics with tetraphenylethylenes: conformation immobilization, optical resolution and circularly polarized luminescence
• Authors of publication: Meng, Qi; Cui, Liwen; Liao, Qi; Xu, Jian; Wang, Yuxiang
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.5253 ± 0.0013 Å
• b: 12.6297 ± 0.0015 Å
• c: 14.6251 ± 0.0016 Å
• α: 113.373 ± 0.003°
• β: 100.425 ± 0.003°
• γ: 100.824 ± 0.004°
• Cell volume: 1681 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1803
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No